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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=664",
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"results": [
{
"id": "jvasp-96770",
"created_at": "2022-09-04T14:36:32.920832Z",
"updated_at": "2022-09-04T14:36:32.920854Z",
"structure_string": "Ca4 Si2 Ir4\n1.0\n5.618137 0.047739 0.891781\n2.592117 4.984643 0.891781\n0.042499 0.026049 7.330265\nCa Si Ir\n4 2 4\ndirect\n0.721916 0.986944 0.139132 Ca\n0.013055 0.278085 0.360868 Ca\n0.278085 0.013055 0.860869 Ca\n0.986946 0.721915 0.639132 Ca\n0.570899 0.429102 0.750000 Si\n0.429103 0.570898 0.250000 Si\n0.777004 0.489495 0.989714 Ir\n0.510506 0.222997 0.510286 Ir\n0.222998 0.510505 0.010286 Ir\n0.489496 0.777003 0.489714 Ir\n",
"nsites": 10,
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"density": 8.016127696564991,
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"volume": 204.11524014450447,
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"formula_full": "Ca4 Si2 Ir4",
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{
"id": "jvasp-52580",
"created_at": "2022-09-04T14:36:32.978240Z",
"updated_at": "2022-09-04T14:36:32.978260Z",
"structure_string": "Ba4 In4 O10\n1.0\n8.808695 -4.077951 -4.077951\n4.405744 4.169768 -0.082926\n4.405744 -0.082926 4.169768\nBa In O\n4 4 10\ndirect\n0.625000 0.104768 0.145233 Ba\n0.125000 0.645232 0.604767 Ba\n0.875000 0.375000 0.375000 Ba\n0.375000 0.875000 0.875000 Ba\n0.012886 0.968318 0.005351 In\n0.237114 0.244648 0.281682 In\n0.512886 0.505352 0.468318 In\n0.737114 0.781682 0.744648 In\n0.625000 0.621262 0.628737 O\n0.375000 0.875000 0.374999 O\n0.579397 0.117133 0.732562 O\n0.670603 0.517439 0.132866 O\n0.125000 0.128738 0.121262 O\n0.170603 0.632866 0.017438 O\n0.079397 0.232561 0.617134 O\n0.875000 0.875000 0.375000 O\n0.375000 0.375000 0.375000 O\n0.875000 0.875000 0.875000 O\n",
"nsites": 18,
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"elements": [
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"density": 6.3433059637336315,
"density_atomic": 0.05884137978338955,
"volume": 305.90717053649473,
"volume_molar": 10.234533558133865,
"formula_full": "Ba4 In4 O10",
"formula_reduced": "Ba2In2O5",
"formula_anonymous": "A2B2C5",
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"spacegroup": 15
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{
"id": "jvasp-13020",
"created_at": "2022-09-04T14:36:36.357904Z",
"updated_at": "2022-09-04T14:36:36.357926Z",
"structure_string": "Cu4 Pb2 O4\n1.0\n5.161516 -0.046815 -2.807310\n-1.617962 4.901596 -2.807310\n0.022132 0.030321 6.105979\nCu Pb O\n4 2 4\ndirect\n0.500001 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n-0.000000 -0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.377621 0.622381 0.250001 Pb\n0.622380 0.377621 0.750001 Pb\n0.006193 0.646580 0.290877 O\n0.353422 0.993809 0.209124 O\n0.993809 0.353422 0.709124 O\n0.646580 0.006193 0.790877 O\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Cu-O-Pb",
"density": 7.853263335883544,
"density_atomic": 0.06455725512404553,
"volume": 154.90125750831865,
"volume_molar": 9.328371766161016,
"formula_full": "Cu4 Pb2 O4",
"formula_reduced": "Cu2PbO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7338937439999995,
"spacegroup": 15
},
{
"id": "jvasp-11304",
"created_at": "2022-09-04T14:36:33.654801Z",
"updated_at": "2022-09-04T14:36:33.654830Z",
"structure_string": "Mo2 F10\n1.0\n5.050690 -0.627274 1.049642\n-2.182199 4.847936 0.562973\n0.450607 -1.775573 7.052529\nMo F\n2 10\ndirect\n0.002653 -0.000136 0.998823 Mo\n0.502643 -0.000139 0.498820 Mo\n0.687165 0.865843 0.248609 F\n0.318123 0.133885 0.749042 F\n0.586223 0.316773 0.369231 F\n0.189319 0.803561 0.048756 F\n0.236093 0.317619 0.130086 F\n0.883557 0.196644 0.551877 F\n0.769216 0.682111 0.867550 F\n0.121729 0.803095 0.445774 F\n0.815981 0.196155 0.948891 F\n0.419059 0.682952 0.628413 F\n",
"nsites": 12,
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"elements": [
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"chemical_system": "F-Mo",
"density": 3.736727602894061,
"density_atomic": 0.07071553556795424,
"volume": 169.69397040723217,
"volume_molar": 8.516008132630223,
"formula_full": "Mo2 F10",
"formula_reduced": "MoF5",
"formula_anonymous": "AB5",
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"spacegroup": 15
},
{
"id": "jvasp-95639",
"created_at": "2022-09-04T14:36:34.344531Z",
"updated_at": "2022-09-04T14:36:34.344548Z",
"structure_string": "Na10 Ta2 O10\n1.0\n5.941800 0.015872 -0.910814\n-2.878559 5.197994 -0.910814\n0.001076 0.001830 10.067998\nNa Ta O\n10 2 10\ndirect\n0.990923 0.675645 0.920962 Na\n0.009077 0.324354 0.079039 Na\n0.675645 0.990922 0.420962 Na\n0.331035 0.668964 0.750000 Na\n0.668965 0.331034 0.250000 Na\n0.554703 0.785361 0.048936 Na\n0.214639 0.445297 0.451065 Na\n0.445297 0.214638 0.951065 Na\n0.785361 0.554702 0.548936 Na\n0.324355 0.009077 0.579039 Na\n0.908249 0.091751 0.750001 Ta\n0.091751 0.908248 0.250000 Ta\n0.697648 0.037868 0.882598 O\n0.962132 0.302352 0.617403 O\n0.596014 0.809935 0.604645 O\n0.190064 0.403985 0.895356 O\n0.403986 0.190064 0.395356 O\n0.809936 0.596013 0.104645 O\n0.302352 0.962131 0.117403 O\n0.037868 0.697647 0.382598 O\n0.094824 0.905176 0.750000 O\n0.905176 0.094823 0.250000 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 4.008461252719012,
"density_atomic": 0.07064089615927177,
"volume": 311.434327650619,
"volume_molar": 8.525006175490853,
"formula_full": "Na10 Ta2 O10",
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"formula_anonymous": "AB5C5",
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"spacegroup": 15
},
{
"id": "jvasp-57493",
"created_at": "2022-09-04T14:36:35.368542Z",
"updated_at": "2022-09-04T14:36:35.368566Z",
"structure_string": "Y2 Ta2 O8\n1.0\n4.765134 -0.002841 -1.794634\n-1.289742 4.806448 -1.972836\n0.013993 -0.024234 6.531075\nY Ta O\n2 2 8\ndirect\n0.381402 0.631403 0.762805 Y\n0.618597 0.368598 0.237197 Y\n0.851725 0.101726 0.703452 Ta\n0.148275 0.898275 0.296549 Ta\n0.560784 0.274640 0.562453 O\n0.791990 0.631784 0.079102 O\n0.439216 0.725361 0.437548 O\n0.712888 0.052682 0.920899 O\n0.001668 0.787814 0.562452 O\n0.287112 0.947319 0.079102 O\n0.208009 0.368217 0.920899 O\n-0.001668 0.212187 0.437548 O\n",
"nsites": 12,
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"elements": [
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"O"
],
"chemical_system": "O-Ta-Y",
"density": 7.421498747103372,
"density_atomic": 0.08032313686573936,
"volume": 149.39655581502097,
"volume_molar": 7.497392401477108,
"formula_full": "Y2 Ta2 O8",
"formula_reduced": "YTaO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.9757697750000007,
"spacegroup": 15
},
{
"id": "jvasp-52373",
"created_at": "2022-09-04T14:36:34.600699Z",
"updated_at": "2022-09-04T14:36:34.600715Z",
"structure_string": "Ba2 Y2 Br10\n1.0\n5.929508 3.917606 0.012137\n-5.929508 3.917606 -0.012137\n-4.314904 0.000000 10.433805\nBa Y Br\n2 2 10\ndirect\n0.485079 0.485078 0.750000 Ba\n0.514922 0.514922 0.250000 Ba\n0.000000 -0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.052227 0.620756 0.631126 Br\n0.791735 0.570904 0.024867 Br\n0.379244 0.947774 0.131125 Br\n0.056688 0.056687 0.750000 Br\n0.570904 0.791735 0.475134 Br\n0.429098 0.208266 0.524867 Br\n0.943314 0.943313 0.250000 Br\n0.620757 0.052226 0.868875 Br\n0.208266 0.429097 -0.024867 Br\n0.947775 0.379244 0.368875 Br\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Y",
"Br"
],
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"density": 4.283535126398796,
"density_atomic": 0.028856817900781036,
"volume": 485.153978104463,
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"formula_full": "Ba2 Y2 Br10",
"formula_reduced": "BaYBr5",
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"spacegroup": 15
},
{
"id": "jvasp-30614",
"created_at": "2022-09-04T14:36:34.950867Z",
"updated_at": "2022-09-04T14:36:34.950893Z",
"structure_string": "Mg2 Cr2 F8\n1.0\n4.589915 0.086080 -1.938897\n-1.101609 5.041370 -2.384072\n0.330151 -0.197588 6.206386\nMg Cr F\n2 2 8\ndirect\n0.248058 0.179483 0.498995 Mg\n0.748065 0.822009 0.498997 Mg\n0.998075 0.500744 0.999000 Cr\n0.498064 0.000731 0.998995 Cr\n0.812716 0.498051 0.234410 F\n0.667850 0.209344 0.705427 F\n0.183462 0.503456 0.763604 F\n0.167851 0.998586 0.705437 F\n0.328284 0.792149 0.292558 F\n0.312697 0.238849 0.234401 F\n0.828282 0.002910 0.292569 F\n0.683451 0.762648 0.763607 F\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Cr-F-Mg",
"density": 3.4935495069257287,
"density_atomic": 0.0828865815622951,
"volume": 144.77614800631096,
"volume_molar": 7.265519516538317,
"formula_full": "Mg2 Cr2 F8",
"formula_reduced": "MgCrF4",
"formula_anonymous": "ABC4",
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"spacegroup": 15
},
{
"id": "jvasp-19270",
"created_at": "2022-09-04T14:36:35.055649Z",
"updated_at": "2022-09-04T14:36:35.055670Z",
"structure_string": "Mg4 Nb4 Co2 O16\n1.0\n-5.161311 0.000146 -0.020459\n-0.000322 -5.982241 -0.002007\n0.121360 2.987799 9.464683\nMg Nb Co O\n4 4 2 16\ndirect\n0.753635 0.588176 0.457932 Mg\n0.747703 0.129803 0.541146 Mg\n0.247710 0.411432 0.541157 Mg\n0.253644 0.869813 0.457955 Mg\n0.748126 0.716824 0.771543 Nb\n0.753226 0.944799 0.227548 Nb\n0.253214 0.282803 0.227548 Nb\n0.248107 0.054829 0.771551 Nb\n0.250675 0.639203 0.999548 Co\n0.750652 0.360433 0.999542 Co\n0.888111 0.453009 0.618817 O\n0.613226 0.833716 0.380271 O\n0.113231 0.546609 0.380278 O\n0.388112 0.165895 0.618823 O\n0.043962 0.084094 0.373803 O\n0.457373 0.709865 0.625289 O\n0.081998 0.321347 0.884501 O\n0.910459 0.183102 0.135944 O\n0.919331 0.678287 0.114590 O\n0.582009 0.563280 0.884502 O\n0.590866 0.046722 0.863153 O\n0.957372 0.915525 0.625297 O\n0.410468 0.952911 0.135942 O\n0.090877 0.816535 0.863157 O\n0.419314 0.436358 0.114589 O\n0.543961 0.289756 0.373807 O\n",
"nsites": 26,
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"elements": [
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"density": 4.7891817623551205,
"density_atomic": 0.088983889745176,
"volume": 292.1877215578735,
"volume_molar": 6.767675336789233,
"formula_full": "Mg4 Nb4 Co2 O16",
"formula_reduced": "Mg2Nb2CoO8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.8157173692307693,
"spacegroup": 15
},
{
"id": "jvasp-11519",
"created_at": "2022-09-04T14:36:35.389808Z",
"updated_at": "2022-09-04T14:36:35.389824Z",
"structure_string": "Co2 Si4 O12\n1.0\n5.282856 0.029188 0.027630\n1.640624 6.078427 0.010410\n1.641156 0.242817 6.073447\nCo Si O\n2 4 12\ndirect\n0.753695 0.585855 0.915131 Co\n0.253694 0.415841 0.085144 Co\n0.755180 0.106713 0.789862 Si\n0.252227 0.894985 0.210410 Si\n0.752219 0.711126 0.394274 Si\n0.255170 0.290575 0.606003 Si\n0.049018 0.132572 0.645930 O\n0.958406 0.869097 0.354364 O\n0.639695 0.310830 0.971495 O\n0.718773 0.582839 0.633920 O\n0.139689 0.472207 0.810121 O\n0.867696 0.529494 0.190155 O\n0.549002 0.146635 0.631882 O\n0.367700 0.690865 0.028782 O\n0.788606 0.867069 0.918150 O\n0.458388 0.855072 0.368404 O\n0.218748 0.134637 0.082142 O\n0.288631 0.418842 0.366351 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 3.6052942226132396,
"density_atomic": 0.0925645442523044,
"volume": 194.4589058952979,
"volume_molar": 6.505882796317098,
"formula_full": "Co2 Si4 O12",
"formula_reduced": "Co(SiO3)2",
"formula_anonymous": "AB2C6",
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"spacegroup": 15
},
{
"id": "jvasp-34563",
"created_at": "2022-09-04T14:36:35.584144Z",
"updated_at": "2022-09-04T14:36:35.584171Z",
"structure_string": "Li4 Zr2 F12\n1.0\n4.842439 -0.015178 1.687974\n1.641149 5.992750 1.566398\n-0.065016 0.029919 6.407409\nLi Zr F\n4 2 12\ndirect\n0.095233 0.293754 0.131658 Li\n0.404767 0.868342 0.706247 Li\n0.904767 0.706246 0.868342 Li\n0.595233 0.131658 0.293753 Li\n0.750000 0.317144 0.682855 Zr\n0.250000 0.682855 0.317145 Zr\n0.497492 0.248845 0.004953 F\n0.997492 0.004953 0.248845 F\n0.855226 0.672562 0.572265 F\n0.949451 0.368737 0.885714 F\n0.644774 0.427735 0.327437 F\n0.050549 0.631263 0.114286 F\n0.449451 0.885714 0.368737 F\n0.355226 0.572265 0.672563 F\n0.550549 0.114285 0.631263 F\n0.002507 0.995047 0.751156 F\n0.502507 0.751155 0.995047 F\n0.144774 0.327438 0.427735 F\n",
"nsites": 18,
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"elements": [
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],
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"density": 3.8991363766874327,
"density_atomic": 0.09645540249827331,
"volume": 186.61474146377884,
"volume_molar": 6.243445783254915,
"formula_full": "Li4 Zr2 F12",
"formula_reduced": "Li2ZrF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.2358662438888892,
"spacegroup": 15
},
{
"id": "jvasp-19071",
"created_at": "2022-09-04T14:36:35.606836Z",
"updated_at": "2022-09-04T14:36:35.606861Z",
"structure_string": "Sr2 Al8 O14\n1.0\n5.440274 -0.013744 1.287933\n1.212558 7.378766 2.822747\n-0.030023 0.000268 7.992714\nSr Al O\n2 8 14\ndirect\n0.750000 0.809646 0.190355 Sr\n0.250000 0.190356 0.809644 Sr\n0.705031 0.255040 0.081184 Al\n0.794969 0.918817 0.744960 Al\n0.294969 0.744961 0.918815 Al\n0.205031 0.081185 0.255040 Al\n0.735828 0.561723 0.681365 Al\n0.764172 0.318635 0.438278 Al\n0.264172 0.438279 0.318634 Al\n0.235828 0.681366 0.561721 Al\n0.047984 0.920780 0.841680 O\n0.452017 0.158320 0.079220 O\n0.904109 0.746104 0.634784 O\n0.547983 0.841681 0.920779 O\n0.952016 0.079221 0.158320 O\n0.832329 0.383383 0.865725 O\n0.667671 0.134274 0.616617 O\n0.167671 0.616618 0.134274 O\n0.332329 0.865727 0.383382 O\n0.404109 0.634785 0.746102 O\n0.095891 0.253897 0.365215 O\n0.595891 0.365216 0.253897 O\n0.750000 0.525544 0.474456 O\n0.250000 0.474457 0.525543 O\n",
"nsites": 24,
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"elements": [
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],
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"volume": 321.2635810276508,
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"formula_full": "Sr2 Al8 O14",
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"formula_anonymous": "AB4C7",
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"spacegroup": 15
}
]
}